Compound Detail
CHEMBL1956906
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Basic Information
| ChEMBL ID | CHEMBL1956906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMIZIRROPNWIIU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
2.35
ALogP
4
HBA
1
HBD
42.9
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.42 | 5.42 | 3801.9 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.35 | 5.35 | 4466.8 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.21 | 5.21 | 6165.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 3801.89 | nM | 5.42 | Displacement of [3H]RX821002 from human alpha2A adrenergic receptor expressed in... | 22370341 |
| Alpha-2B adrenergic receptor | Ki | = | 4466.84 | nM | 5.35 | Displacement of [3H]RX821002 from human alpha2B adrenergic receptor expressed in... | 22370341 |
| Alpha-2C adrenergic receptor | Ki | = | 6165.95 | nM | 5.21 | Displacement of [3H]RX821002 from human Alpha-2C adrenergic receptor expressed i... | 22370341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22370341 | 10.1016/j.bmc.2012.02.016 | Alpha-2A adrenergic receptor | 2 |
| 22370341 | 10.1016/j.bmc.2012.02.016 | Alpha-2B adrenergic receptor | 2 |
| 22370341 | 10.1016/j.bmc.2012.02.016 | Alpha-2C adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine